2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole

C9H13F2N3S — CID 66288244

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1CSCC1CNC1
InChIInChI=1S/C9H13F2N3S/c10-9(11)14-2-1-13-8(14)6-15-5-7-3-12-4-7/h1-2,7,9,12H,3-6H2
InChIKeyJGZRYNCTJCTJDL-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.73
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole

2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole (PubChem CID 66288244) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole
PubChem CID66288244
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1CSCC1CNC1
InChIInChI=1S/C9H13F2N3S/c10-9(11)14-2-1-13-8(14)6-15-5-7-3-12-4-7/h1-2,7,9,12H,3-6H2
InChIKeyJGZRYNCTJCTJDL-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole (CID 66288244) is 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole is FC(F)n1ccnc1CSCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole?
The InChIKey is JGZRYNCTJCTJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c10-9(11)14-2-1-13-8(14)6-15-5-7-3-12-4-7/h1-2,7,9,12H,3-6H2.
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole?
2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole has a molecular weight of 233.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-1-(difluoromethyl)imidazole is sourced from PubChem (CID 66288244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).